N-[2-cyclopropyl-5-[6-(4-hydroxypiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenyl]-2,2-dimethylpropanamide

C25H31N5O2 — CID 67983216

IUPACN-[2-cyclopropyl-5-[6-(4-hydroxypiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(-c2cn3nc(N4CCC(O)CC4)ccc3n2)ccc1C1CC1
InChIInChI=1S/C25H31N5O2/c1-25(2,3)24(32)27-20-14-17(6-7-19(20)16-4-5-16)21-15-30-22(26-21)8-9-23(28-30)29-12-10-18(31)11-13-29/h6-9,14-16,18,31H,4-5,10-13H2,1-3H3,(H,27,32)
InChIKeySWBFKWJOHROVHU-UHFFFAOYSA-N
MW433.56 g/mol
LogP4.22
Rot. Bonds4

About N-[2-cyclopropyl-5-[6-(4-hydroxypiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenyl]-2,2-dimethylpropanamide

N-[2-cyclopropyl-5-[6-(4-hydroxypiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenyl]-2,2-dimethylpropanamide (PubChem CID 67983216) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-[2-cyclopropyl-5-[6-(4-hydroxypiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-cyclopropyl-5-[6-(4-hydroxypiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenyl]-2,2-dimethylpropanamide
PubChem CID67983216
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC NameN-[2-cyclopropyl-5-[6-(4-hydroxypiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(-c2cn3nc(N4CCC(O)CC4)ccc3n2)ccc1C1CC1
InChIInChI=1S/C25H31N5O2/c1-25(2,3)24(32)27-20-14-17(6-7-19(20)16-4-5-16)21-15-30-22(26-21)8-9-23(28-30)29-12-10-18(31)11-13-29/h6-9,14-16,18,31H,4-5,10-13H2,1-3H3,(H,27,32)
InChIKeySWBFKWJOHROVHU-UHFFFAOYSA-N
XLogP4.22
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-5-[6-(4-hydroxypiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-cyclopropyl-5-[6-(4-hydroxypiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenyl]-2,2-dimethylpropanamide (CID 67983216) is N-[2-cyclopropyl-5-[6-(4-hydroxypiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-cyclopropyl-5-[6-(4-hydroxypiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-cyclopropyl-5-[6-(4-hydroxypiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cc(-c2cn3nc(N4CCC(O)CC4)ccc3n2)ccc1C1CC1.
What is the InChIKey of N-[2-cyclopropyl-5-[6-(4-hydroxypiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is SWBFKWJOHROVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-25(2,3)24(32)27-20-14-17(6-7-19(20)16-4-5-16)21-15-30-22(26-21)8-9-23(28-30)29-12-10-18(31)11-13-29/h6-9,14-16,18,31H,4-5,10-13H2,1-3H3,(H,27,32).
What are the key properties of N-[2-cyclopropyl-5-[6-(4-hydroxypiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenyl]-2,2-dimethylpropanamide?
N-[2-cyclopropyl-5-[6-(4-hydroxypiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 433.56 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-5-[6-(4-hydroxypiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 67983216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).